3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one

C10H16N2O — CID 11063014

IUPAC3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one
SMILESCN1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C10H16N2O/c1-11-4-6-12(7-5-11)9-2-3-10(13)8-9/h8H,2-7H2,1H3
InChIKeyCVPLOAPCCDDPGU-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.48
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one

3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one (PubChem CID 11063014) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one
PubChem CID11063014
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one
SMILESCN1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C10H16N2O/c1-11-4-6-12(7-5-11)9-2-3-10(13)8-9/h8H,2-7H2,1H3
InChIKeyCVPLOAPCCDDPGU-UHFFFAOYSA-N
XLogP0.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one (CID 11063014) is 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one is CN1CCN(C2=CC(=O)CC2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one?
The InChIKey is CVPLOAPCCDDPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-11-4-6-12(7-5-11)9-2-3-10(13)8-9/h8H,2-7H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one?
3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 11063014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).